Critical assessment of diffusion coefficients of benzene and its derivatives in supercritical carbon dioxide: Experimental data, molecular dynamics simulations, and modeling

被引：0
|
作者：
Rios, William Q. [1 ]
Gomes, José R.B. [1 ]
Silva, Carlos M. [1 ]
机构：
[1] CICECO – Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, Aveiro,3810-193, Portugal
来源：
Journal of Molecular Liquids | 2024年 / 415卷
关键词：
Critical assessment - Dynamics simulation - Experimental diffusivity - Forcefields - Machine-learning - Molecular dynamic models - Molecular simulations - Phenomenological models - Simulation and modeling - Supercritical carbondioxides;
D O I：
10.1016/j.molliq.2024.126355
中图分类号：
学科分类号：
摘要：
103
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